5-(2,2-dimethylpropyl)-2-methyl-4-propylpyrazol-3-amine

C12H23N3 — CID 79405291

IUPAC5-(2,2-dimethylpropyl)-2-methyl-4-propylpyrazol-3-amine
SMILESCCCc1c(CC(C)(C)C)nn(C)c1N
InChIInChI=1S/C12H23N3/c1-6-7-9-10(8-12(2,3)4)14-15(5)11(9)13/h6-8,13H2,1-5H3
InChIKeyXEECXPJGTWZVSS-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.54
Rot. Bonds3

About 5-(2,2-dimethylpropyl)-2-methyl-4-propylpyrazol-3-amine

5-(2,2-dimethylpropyl)-2-methyl-4-propylpyrazol-3-amine (PubChem CID 79405291) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2-methyl-4-propylpyrazol-3-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-2-methyl-4-propylpyrazol-3-amine
PubChem CID79405291
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name5-(2,2-dimethylpropyl)-2-methyl-4-propylpyrazol-3-amine
SMILESCCCc1c(CC(C)(C)C)nn(C)c1N
InChIInChI=1S/C12H23N3/c1-6-7-9-10(8-12(2,3)4)14-15(5)11(9)13/h6-8,13H2,1-5H3
InChIKeyXEECXPJGTWZVSS-UHFFFAOYSA-N
XLogP2.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-diethyl-2-methylpyrazol-3-amine;hydrate
CID 47000727
1-methyl-3-(4-methylphenyl)-4-propylpyrazol-5-amine
CID 79404540
5-(2,2-dimethylcyclopropyl)-2-methyl-4-propylpyrazol-3-amine
CID 107001768
1-methyl-3-(4-methylthiophen-3-yl)-4-propylpyrazol-5-amine
CID 79803102
5-cyclooctyl-2-methyl-4-propylpyrazol-3-amine
CID 79406049
3-heptan-3-yl-1-methyl-4-propylpyrazol-5-amine
CID 79405405
1-methyl-3-(5-methylthiophen-2-yl)-4-propylpyrazol-5-amine
CID 79406055
4-amino-1-methyl-3-propylpyrazole-5-carbaldehyde
CID 175381778
2,4-dimethyl-5-nonylpyrazol-3-amine
CID 65426344
5-(2,2-dimethylpropyl)-3-prop-2-enyl-2-propylimidazol-4-amine
CID 62964799
3-(3,6-dimethylpyridazin-4-yl)-1-methyl-4-propylpyrazol-5-amine
CID 113439300
3-(5-ethylthiophen-2-yl)-1-methyl-4-propylpyrazol-5-amine
CID 79406046

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-2-methyl-4-propylpyrazol-3-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-2-methyl-4-propylpyrazol-3-amine (CID 79405291) is 5-(2,2-dimethylpropyl)-2-methyl-4-propylpyrazol-3-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-2-methyl-4-propylpyrazol-3-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-2-methyl-4-propylpyrazol-3-amine is CCCc1c(CC(C)(C)C)nn(C)c1N.
What is the InChIKey of 5-(2,2-dimethylpropyl)-2-methyl-4-propylpyrazol-3-amine?
The InChIKey is XEECXPJGTWZVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-6-7-9-10(8-12(2,3)4)14-15(5)11(9)13/h6-8,13H2,1-5H3.
What are the key properties of 5-(2,2-dimethylpropyl)-2-methyl-4-propylpyrazol-3-amine?
5-(2,2-dimethylpropyl)-2-methyl-4-propylpyrazol-3-amine has a molecular weight of 209.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-2-methyl-4-propylpyrazol-3-amine is sourced from PubChem (CID 79405291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).